1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole

C50H32N4 — CID 148932878

IUPAC1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2cccc3c(-c4cccc5ccccc45)c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4cc23)cc1
InChIInChI=1S/C50H32N4/c1-3-17-34(18-4-1)49-51-42-26-9-11-28-46(42)53(49)44-30-14-24-38-40(44)32-41-39(48(38)37-23-13-21-33-16-7-8-22-36(33)37)25-15-31-45(41)54-47-29-12-10-27-43(47)52-50(54)35-19-5-2-6-20-35/h1-32H
InChIKeyPMHBVNYYGAYFFI-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.82
Rot. Bonds5

About 1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole

1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole (PubChem CID 148932878) has the molecular formula C50H32N4 and a molecular weight of 688.83 g/mol. Its IUPAC name is 1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole
PubChem CID148932878
Molecular FormulaC50H32N4
Molecular Weight688.83 g/mol
Exact Mass688.26
IUPAC Name1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2cccc3c(-c4cccc5ccccc45)c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4cc23)cc1
InChIInChI=1S/C50H32N4/c1-3-17-34(18-4-1)49-51-42-26-9-11-28-46(42)53(49)44-30-14-24-38-40(44)32-41-39(48(38)37-23-13-21-33-16-7-8-22-36(33)37)25-15-31-45(41)54-47-29-12-10-27-43(47)52-50(54)35-19-5-2-6-20-35/h1-32H
InChIKeyPMHBVNYYGAYFFI-UHFFFAOYSA-N
XLogP12.82
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzimidazole
CID 155333469
1-[10-(9,9-diphenylfluoren-1-yl)-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole
CID 155333714
1-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953721
1-naphthalen-1-yl-2-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole
CID 170236310
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 166509851
2-phenyl-1-[8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole
CID 153271176
6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole
CID 162249648
2-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole
CID 170236367
1-[2-[9,10-diphenyl-6-[2-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylbenzimidazole
CID 58953786
2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]benzimidazole
CID 155333103
6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-phenylanthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[10-phenyl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]benzimidazole
CID 159553812
1-[2-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole
CID 169070276

Frequently Asked Questions

What is the IUPAC name of 1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole?
The IUPAC name of 1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole (CID 148932878) is 1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole is c1ccc(-c2nc3ccccc3n2-c2cccc3c(-c4cccc5ccccc45)c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4cc23)cc1.
What is the InChIKey of 1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole?
The InChIKey is PMHBVNYYGAYFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4/c1-3-17-34(18-4-1)49-51-42-26-9-11-28-46(42)53(49)44-30-14-24-38-40(44)32-41-39(48(38)37-23-13-21-33-16-7-8-22-36(33)37)25-15-31-45(41)54-47-29-12-10-27-43(47)52-50(54)35-19-5-2-6-20-35/h1-32H.
What are the key properties of 1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole?
1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole has a molecular weight of 688.83 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole is sourced from PubChem (CID 148932878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).